2-amino-N-phenyl-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-3-carboxamide

2-amino-N-phenyl-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-3-carboxamide

CAS: 667412-96-6

Formula: C17H20N2OS

SMILES: NC1=C(C(=O)NC2=CC=CC=C2)C2=C(CCCCCC2)S1

IUPAC: 2-amino-N-phenyl-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-3-carboxamide

InChI: InChI=1S/C17H20N2OS/c18-16-15(17(20)19-12-8-4-3-5-9-12)13-10-6-1-2-7-11-14(13)21-16/h3-5,8-9H,1-2,6-7,10-11,18H2,(H,19,20)

Composition: C (67.97%), H (6.71%), N (9.32%), O (5.33%), S (10.67%)

Molar Mass: 300.42

Atom Count: 41

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	300.129634446
Formal Charge	0
FSP3	0.35
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	FCPXNZXKVCSZFC-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	89.18
Topological Polar Surface Area	55.12
Polarizability	32.89
Ring Count	3
Rotatable Bond Count	2

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